methyl 2-[[(2-azanyl-2-oxidanylidene-ethyl)-propan-2-yl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[(2-azanyl-2-oxidanylidene-ethyl)-propan-2-yl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(2-amino-2-oxo-ethyl)-isopropyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-amino-2-keto-ethyl)-isopropyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(=O)N)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(=O)N)C(C)C)C(=O)OC

InChI

InChI=1S/C15H20N4O4S/c1-7(2)19(5-9(16)20)6-10-17-13(21)11-8(3)12(15(22)23-4)24-14(11)18-10/h7H,5-6H2,1-4H3,(H2,16,20)(H,17,18,21)